N-[1-(2-amino-2-methylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide;hydrochloride

C13H22ClN3O3S2 — CID 119291177

IUPACN-[1-(2-amino-2-methylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide;hydrochloride
SMILESCC(C)(N)C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1.Cl
InChIInChI=1S/C13H21N3O3S2.ClH/c1-13(2,14)12(17)16-7-5-10(6-8-16)15-21(18,19)11-4-3-9-20-11;/h3-4,9-10,15H,5-8,14H2,1-2H3;1H
InChIKeyFSKSWBGLAUNXAT-UHFFFAOYSA-N
MW367.92 g/mol
LogP1.18
Rot. Bonds4

About N-[1-(2-amino-2-methylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide;hydrochloride

N-[1-(2-amino-2-methylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide;hydrochloride (PubChem CID 119291177) has the molecular formula C13H22ClN3O3S2 and a molecular weight of 367.92 g/mol. Its IUPAC name is N-[1-(2-amino-2-methylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(2-amino-2-methylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide;hydrochloride
PubChem CID119291177
Molecular FormulaC13H22ClN3O3S2
Molecular Weight367.92 g/mol
Exact Mass367.08
IUPAC NameN-[1-(2-amino-2-methylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide;hydrochloride
SMILESCC(C)(N)C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1.Cl
InChIInChI=1S/C13H21N3O3S2.ClH/c1-13(2,14)12(17)16-7-5-10(6-8-16)15-21(18,19)11-4-3-9-20-11;/h3-4,9-10,15H,5-8,14H2,1-2H3;1H
InChIKeyFSKSWBGLAUNXAT-UHFFFAOYSA-N
XLogP1.18
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.92
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 33348692
N-propan-2-yl-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide
CID 110822400
N-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 119726760
4-[4-(thiophen-2-ylsulfonylamino)piperidine-1-carbonyl]cubane-1-carboxamide
CID 166343391
N-[1-(4-aminobutanoyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 119291200
N-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 119291186
N-[1-(5-amino-2-methylbenzoyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 120622781
ethyl 4-[4-(thiophen-2-ylsulfonylamino)piperidine-1-carbonyl]piperidine-1-carboxylate
CID 33170749
tert-butyl 2-[4-(thiophen-2-ylsulfonylamino)piperidine-1-carbonyl]pyrrolidine-1-carboxylate
CID 55527058
N-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 71970091
N-(2-fluorophenyl)-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide
CID 55484909
N-[1-[2-(3-methylbutoxy)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 48851978

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-methylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide;hydrochloride?
The IUPAC name of N-[1-(2-amino-2-methylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide;hydrochloride (CID 119291177) is N-[1-(2-amino-2-methylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide;hydrochloride.
What is the SMILES notation for N-[1-(2-amino-2-methylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide;hydrochloride?
The canonical SMILES for N-[1-(2-amino-2-methylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide;hydrochloride is CC(C)(N)C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1.Cl.
What is the InChIKey of N-[1-(2-amino-2-methylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide;hydrochloride?
The InChIKey is FSKSWBGLAUNXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S2.ClH/c1-13(2,14)12(17)16-7-5-10(6-8-16)15-21(18,19)11-4-3-9-20-11;/h3-4,9-10,15H,5-8,14H2,1-2H3;1H.
What are the key properties of N-[1-(2-amino-2-methylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide;hydrochloride?
N-[1-(2-amino-2-methylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide;hydrochloride has a molecular weight of 367.92 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-methylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide;hydrochloride is sourced from PubChem (CID 119291177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).